5-(pentanoylamino)-2-(4-phenylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-(pentanoylamino)-2-(4-phenylpiperazin-1-yl)benzoic acid Openeye Name: 5-(pentanoylamino)-2-(4-phenylpiperazin-1-yl)benzoic acid CAS Name: 5-(1-oxopentylamino)-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 5-(pentanoylamino)-2-(4-phenylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-phenylpiperazino)-5-(valerylamino)benzoic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H27N3O3/c1-2-3-9-21(26)23-17-10-11-20(19(16-17)22(27)28)25-14-12-24(13-15-25)18-7-5-4-6-8-18/h4-8,10-11,16H,2-3,9,12-15H2,1H3,(H,23,26)(H,27,28)